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3QBU
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BU of 3qbu by Molmil
Crystal structure of putative peptidoglycan deactelyase (HP0310) from Helicobacter pylori
Descriptor: Putative uncharacterized protein, ZINC ION
Authors:Shaik, M.M, Cendron, L, Percudani, R, Zanotti, G.
Deposit date:2011-01-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5701 Å)
Cite:The Structure of Helicobacter pylori HP0310 Reveals an Atypical Peptidoglycan Deacetylase.
Plos One, 6, 2011
2OXY
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BU of 2oxy by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Descriptor: 4,5,6,7-TETRABROMO-BENZIMIDAZOLE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.812 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXD
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BU of 2oxd by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors
Descriptor: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-20
Release date:2007-09-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2OXX
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BU of 2oxx by Molmil
Protein kinase CK2 in complex with tetrabromobenzoimidazole derivatives K17, K22 and K32
Descriptor: 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-THIONE, Casein kinase II subunit alpha
Authors:Battistutta, R, Zanotti, G, Cendron, L.
Deposit date:2007-02-21
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ATP-Binding Site of Protein Kinase CK2 Holds a Positive Electrostatic Area and Conserved Water Molecules.
Chembiochem, 8, 2007
2NOY
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BU of 2noy by Molmil
Crystal structure of transthyretin mutant I84S at PH 7.5
Descriptor: Transthyretin
Authors:Pasquato, N, Berni, R, Folli, C, Alfieri, B, Cendron, L, Zanotti, G.
Deposit date:2006-10-26
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin
J.Mol.Biol., 366, 2007
6S32
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BU of 6s32 by Molmil
Crystal structure of ene-reductase CtOYE from Chroococcidiopsis thermalis.
Descriptor: ACETATE ION, BENZAMIDINE, FLAVIN MONONUCLEOTIDE, ...
Authors:Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L.
Deposit date:2019-06-24
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
6S1S
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BU of 6s1s by Molmil
Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor
Descriptor: (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION
Authors:Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L.
Deposit date:2019-06-19
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Phenylboronic Acids Probing Molecular Recognition against Class A and Class C beta-lactamases.
Antibiotics, 8, 2019
6S23
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BU of 6s23 by Molmil
Crystal structure of ene-reductase GsOYE from Galleria sulphuraria in complex with 2-methyl-cyclopenten-1-one
Descriptor: 2-methylcyclopenta-2,4-dien-1-one, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, ...
Authors:Robescu, M.S, Niero, M, Hall, M, Bergantino, E, Cendron, L.
Deposit date:2019-06-20
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
6S31
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BU of 6s31 by Molmil
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with 4-Hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein, P-HYDROXYBENZALDEHYDE
Authors:Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L.
Deposit date:2019-06-23
Release date:2020-01-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
6T8C
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BU of 6t8c by Molmil
Crystal structure of formate dehydrogenase FDH2 enzyme from Granulicella mallensis MP5ACTX8 in the apo form.
Descriptor: Formate dehydrogenase
Authors:Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
Deposit date:2019-10-24
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
6S0G
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BU of 6s0g by Molmil
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Robescu, M.R, Niero, M, Hall, M, Bergantino, E, Cendron, L.
Deposit date:2019-06-14
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Two new ene-reductases from photosynthetic extremophiles enlarge the panel of old yellow enzymes: CtOYE and GsOYE.
Appl.Microbiol.Biotechnol., 104, 2020
6T9X
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BU of 6t9x by Molmil
Crystal structure of formate dehydrogenase FDH2 D222Q/Q223R mutant enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and Azide.
Descriptor: AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
Deposit date:2019-10-29
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
6T7H
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BU of 6t7h by Molmil
Crystal structure of Thrombin in complex with macrocycle N14-PR4-A
Descriptor: (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angelini, A, Kumar, M.G, Heinis, C, Cendron, L.
Deposit date:2019-10-22
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
6T9W
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BU of 6t9w by Molmil
Crystal structure of formate dehydrogenase FDH2 D222A/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide.
Descriptor: AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
Deposit date:2019-10-29
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
6TB6
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BU of 6tb6 by Molmil
Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide.
Descriptor: AZIDE ION, COBALT (II) ION, Formate dehydrogenase, ...
Authors:Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L.
Deposit date:2019-11-01
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
3CL8
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BU of 3cl8 by Molmil
Crystal structure of Puue Allantoinase complexed with ACA
Descriptor: 5-amino-1H-imidazole-4-carboxamide, Puue Allantoinase
Authors:Ramazzina, I, Cendron, L, Folli, C, Berni, R, Monteverdi, D, Zanotti, G, Percudani, R.
Deposit date:2008-03-18
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Logical identification of an allantoinase analog (puuE) recruited from polysaccharide deacetylases
J.Biol.Chem., 283, 2008
3CL7
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BU of 3cl7 by Molmil
Crystal structure of Puue Allantoinase in complex with Hydantoin
Descriptor: Puue Allantoinase, imidazolidine-2,4-dione
Authors:Ramazzina, I, Cendron, L, Folli, C, Berni, R, Monteverdi, D, Zanotti, G, Percudani, R.
Deposit date:2008-03-18
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Logical identification of an allantoinase analog (puuE) recruited from polysaccharide deacetylases
J.Biol.Chem., 283, 2008
3CL6
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BU of 3cl6 by Molmil
Crystal structure of Puue Allantoinase
Descriptor: Puue allantoinase
Authors:Ramazzina, I, Cendron, L, Folli, C, Berni, R, Monteverdi, D, Zanotti, G, Percudani, R.
Deposit date:2008-03-18
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Logical identification of an allantoinase analog (puuE) recruited from polysaccharide deacetylases
J.Biol.Chem., 283, 2008
2G3X
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BU of 2g3x by Molmil
Crystal structure of Transthyretin mutant I84S at acidic pH
Descriptor: Transthyretin
Authors:Pasquato, N, Folli, C, Berni, R, Zanotti, G.
Deposit date:2006-02-21
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin.
J.Mol.Biol., 366, 2007
2G4G
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BU of 2g4g by Molmil
Crystal structure of human transthyretin at pH 4.6
Descriptor: Transthyretin
Authors:Pasquato, N, Folli, C, Berni, R, Zanotti, G.
Deposit date:2006-02-22
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin.
J.Mol.Biol., 366, 2007
2G4E
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BU of 2g4e by Molmil
Crystal structure of transthyretin mutant I84A at neutral pH
Descriptor: Transthyretin
Authors:Pasquato, N, Folli, C, Berni, R, Zanotti, G.
Deposit date:2006-02-22
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin.
J.Mol.Biol., 366, 2007
2G3Z
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BU of 2g3z by Molmil
Crystal structure of Transthyretin mutant I84A at low pH
Descriptor: Transthyretin
Authors:Pasquato, N, Folli, C, Berni, R, Zanotti, G.
Deposit date:2006-02-21
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Acidic pH-induced conformational changes in amyloidogenic mutant transthyretin.
J.Mol.Biol., 366, 2007
8A4M
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BU of 8a4m by Molmil
Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061)
Descriptor: (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
Authors:Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S.
Deposit date:2022-06-13
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates.
J.Med.Chem., 65, 2022
3KXH
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BU of 3kxh by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66)
Descriptor: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXN
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BU of 3kxn by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
Descriptor: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
Authors:Papinutto, E, Franchin, C, Battistutta, R.
Deposit date:2009-12-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011

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